N-[5-[(4-cyanophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-3-(dimethylsulfamoyl)benzamide

Systemtic Name: N-[5-[(4-cyanophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-3-(dimethylsulfamoyl)benzamide Openeye Name: N-[5-[(4-cyanophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-3-(dimethylsulfamoyl)benzamide CAS Name: N-[5-[(4-cyanophenyl)methylthio]-1,3,4-thiadiazol-2-yl]-3-(dimethylsulfamoyl)benzamide IUPAC Name: N-[5-[(4-cyanophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-3-(dimethylsulfamoyl)benzamide Traditional Name: N-[5-[(4-cyanobenzyl)thio]-1,3,4-thiadiazol-2-yl]-3-(dimethylsulfamoyl)benzamide Formula: C19H17N5O3S3 MolecularWeight: 459.56498

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)S(=O)(=O)C1=CC=CC(=C1)C(=O)NC2=NN=C(S2)SCC3=CC=C(C=C3)C#N

Isomeric SMILES

CN(C)S(=O)(=O)C1=CC=CC(=C1)C(=O)NC2=NN=C(S2)SCC3=CC=C(C=C3)C#N

InChI

InChI=1S/C19H17N5O3S3/c1-24(2)30(26,27)16-5-3-4-15(10-16)17(25)21-18-22-23-19(29-18)28-12-14-8-6-13(11-20)7-9-14/h3-10H,12H2,1-2H3,(H,21,22,25)